bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane

C26H35O2P — CID 144514405

IUPACbis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCCC23CCC3)cc1C
InChIInChI=1S/C26H35O2P/c1-17-13-21(14-18(2)24(17)27-5)29(23-9-7-10-26(23)11-8-12-26)22-15-19(3)25(28-6)20(4)16-22/h13-16,23H,7-12H2,1-6H3/t23-/m1/s1
InChIKeyAFMGDZKSUNZFTM-HSZRJFAPSA-N
MW410.54 g/mol
LogP6.09
Rot. Bonds5

About bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane

bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane (PubChem CID 144514405) has the molecular formula C26H35O2P and a molecular weight of 410.54 g/mol. Its IUPAC name is bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane.

Molecular Properties

Compound Namebis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane
PubChem CID144514405
Molecular FormulaC26H35O2P
Molecular Weight410.54 g/mol
Exact Mass410.24
IUPAC Namebis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCCC23CCC3)cc1C
InChIInChI=1S/C26H35O2P/c1-17-13-21(14-18(2)24(17)27-5)29(23-9-7-10-26(23)11-8-12-26)22-15-19(3)25(28-6)20(4)16-22/h13-16,23H,7-12H2,1-6H3/t23-/m1/s1
InChIKeyAFMGDZKSUNZFTM-HSZRJFAPSA-N
XLogP6.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane
CID 58900679
[(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 144514442
[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 76609630
cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron
CID 137321453
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 143834388
5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene
CID 130057399
1-(4-methoxy-3,5-dimethylphenyl)cyclopropan-1-ol
CID 117283028
(1S)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenyl]-N,N-dimethylmethanamine
CID 58160434
dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane
CID 11250875
[(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 71293340
(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107181845

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane?
The IUPAC name of bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane (CID 144514405) is bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane.
What is the SMILES notation for bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane?
The canonical SMILES for bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCCC23CCC3)cc1C.
What is the InChIKey of bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane?
The InChIKey is AFMGDZKSUNZFTM-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H35O2P/c1-17-13-21(14-18(2)24(17)27-5)29(23-9-7-10-26(23)11-8-12-26)22-15-19(3)25(28-6)20(4)16-22/h13-16,23H,7-12H2,1-6H3/t23-/m1/s1.
What are the key properties of bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane?
bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane has a molecular weight of 410.54 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane is sourced from PubChem (CID 144514405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).